(Q105143189)

English

[(1S,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-1-(2-methylbut-2-enoyloxy)propan-2-yl] (2R,3S)-3-acetyloxy-2-hydroxy-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[1-(7-Methoxy-1,3-benzodioxol-5-yl)-1-(2-methylbut-2-enoyloxy)propan-2-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

466.18389716 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-1-[(Z)-2-methylbut-2-enoyl]oxypropan-2-yl] (2R,3S)-3-acetyloxy-2-hydroxy-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₀O₁₀

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canonical SMILES

O=C(OC(C1=CC(OC)=C2OCOC2=C1)C(OC(=O)C(O)(C)C(OC(=O)C)C)C)C(=CC)C

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isomeric SMILES

CC=C(C)C(=O)O[C@@H](c1cc(OC)c2c(c1)OCO2)[C@@H](C)OC(=O)[C@](C)(O)[C@H](C)OC(C)=O

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found in taxon

Thapsia villosa

1 reference

stated in

Phenylpropanoids and other derivatives from Thapsia villosa

Identifiers

InChI

InChI=1S/C23H30O10/c1-8-12(2)21(25)33-19(16-9-17(28-7)20-18(10-16)29-11-30-20)13(3)31-22(26)23(6,27)14(4)32-15(5)24/h8-10,13-14,19,27H,11H2,1-7H3/t13-,14+,19-,23-/m1/s1

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InChIKey

KMSUZYPTBOBWED-TXVUGPKNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KMSUZYPTBOBWED-TXVUGPKNSA-N

(Q105143189)

[(1S,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-1-(2-methylbut-2-enoyloxy)propan-2-yl] (2R,3S)-3-acetyloxy-2-hydroxy-2-methylbutanoate

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